Computational materials science surfaces, interfaces, crystallization - Ovrutsky, A. M.; Prokhoda, A. S.; Rasshchupkyna, M. S. (Amsterdam Elsevier, 2014)
Computer modeling of physical phenomena and processes -- Basic concepts in theory of phase transformations -- Diffusion problems of crystal growth: methods of numerical solutions -- Structure of the boundary surfaces -- Adsorption. The Gibbs Adsoprtion Equation -- Simulation techniques for atomic systems -- The surface processes during crystalization -- Modern simulations by the molecular dynamics method -- Computational experiments in materials science.
Includes bibliographical references.
Keywords: Materials science -- Computer simulation; Materials science -- Mathematical models; Materials science -- Simulation methods; Crystallization -- Computer simulation; Crystals -- Structure -- Computer simulation; Interfaces (Physical sciences) -- Computer simulation